University of Strathclyde
Coreshell Molecular Descriptor PDRA
- Glasgow
- £39,906 – £46,049 pa
- Entry level
- Contract
Develops high-throughput Python workflows to analyse coarse-grained molecular-dynamics simulations of engineered protein assemblies, extracting geometric, topological and structural descriptors such as curvature, lumen dimensions and packing order. Builds structure-property relationships and reusable, version-controlled pipelines feeding predictive and active-learning models, within an interdisciplinary team spanning computational chemistry, machine learning, protein science and engineering.
Martini · GROMACS · VMD +2